Results 131 to 140 of about 19,114 (261)

Theoretical study on the geometry, aromaticity and electronic properties of porphyrin analogues. [PDF]

RSC Adv
Chen X, Li D, Zhang C, She Y, Yang YF.
europepmc   +1 more source

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source

A Mechanistic Study of Bio‐Based Nanotemplated Carbon Nanofibers Derived From Water Processable Lignin Blends for Sustainable Energy Storage Applications

Advanced Materials, EarlyView.
As‐spun carbon materials produced from Lignosulfonate, gelatin, and alginate, selected for water solubility, and ability to produce templated sustainable carbon nanostructures. Gelatin and alginate are sacrificial during thermal processing, allowing the production of engineered high surface area nanostructures, which are further characterized for ...
Judith Miralda‐Jalle, Jamal El Haskouri, Shayon Bhattacharya, Anne Beaucamp, Tadhg Kennedy, Mario Culebras, Maurice N. Collins   +6 more
wiley   +1 more source

How to evaluate aromaticity under pressure? Benzene as a benchmark system. [PDF]

Chem Sci
Eeckhoudt J, Dellwisch A, Plump A, Zeller F, Neudecker T, De Proft F, Alonso M.   +6 more
europepmc   +1 more source

Weakly‐Coordinating Non‐Fluorinated Diluents for Local High‐Concentration Electrolytes in Advanced Lithium Metal Batteries

Advanced Materials, EarlyView.
This perspective critically evaluates non‐fluorinated diluents in local high‐concentration electrolytes, categorizing their solvation behavior, interfacial mechanisms, and sustainability potential to guide future electrolyte design for lithium metal batteries.
Yin Cui, Xinrui Li, Nan Jiang, Xinyan Huang, E. Lora da Silva, Ruo Zhao, Tao Yang, Qingxia Liu, Xidong Lin   +8 more
wiley   +1 more source

Schleyer-type hyperconjugative aromaticity in CH isomers of diazoles revealed by DFT and NBO analysis. [PDF]

Sci Rep
Dehkordi PN, Saeidian H, Mirjafary Z, Rouhani M.   +3 more
europepmc   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

Singlet machine learning photodynamics reveal competing inversion paths of methylated cyclooctatetrathiophene. [PDF]

Chem Sci
Salguero C, Lopez SA.
europepmc   +1 more source

Ultra‐High‐Throughput Discovery of Multifunctional Polyphenolic Coatings on Droplet Microarrays

Advanced Materials, EarlyView.
An ultra‐high‐throughput (UHT) combinatorial strategy enables the miniaturized synthesis and screening of ≈30 000 polyamine‐polyphenolic (PaPp) coatings using droplet microarrays (DMA). This approach reveals hundreds of previously unknown fluorescent, redox‐active, and antibacterial materials, including multifunctional, cell‐compatible surfaces ...
Vania Tanda Widyaya, Joaquín E. Urrutia Gómez, Paul Reuß, Alexander Welle, Rolf A. Gattung, Jana Mayer, Peter Krolla, Markus Reischl, Pascal Friederich, Anna A. Popova, Thomas Schwartz, Pavel A. Levkin   +11 more
wiley   +1 more source

Ratiometric Mycotoxin Detection in Living Plants With Dual‐Emissive Nanosensors

Advanced Materials, EarlyView.
A minimally invasive microneedle patch integrates carbon dot‐embedded metal–organic frameworks as nanosensors to detect a key fungal toxin in living plants. The nanosensor produces a ratiometric fluorescence signal that enables early, non‐destructive diagnosis of fungal infection before visible symptoms, offering a new biomaterials‐based strategy for ...
Yuliang Li, Di Shen, Ziyang Huang, Suppanat Puangpathumanond, Calvin Thenarianto, Yue Zhao, Jolly Madathiparambil Saju, Rajani Sarojam, Dongmei Zhou, Tedrick Thomas Salim Lew   +9 more
wiley   +1 more source